4-azanyl-2-(dimethylamino)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-(dimethylamino)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-6-(4-benzylpiperazin-1-yl)-2-(dimethylamino)pyrimidine-5-carbonitrile CAS Name: 4-amino-2-(dimethylamino)-6-[4-(phenylmethyl)-1-piperazinyl]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-6-(4-benzylpiperazin-1-yl)-2-(dimethylamino)pyrimidine-5-carbonitrile Traditional Name: 4-amino-6-(4-benzylpiperazino)-2-(dimethylamino)pyrimidine-5-carbonitrile Formula: C18H23N7 MolecularWeight: 337.42212

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=C(C(=N1)N)C#N)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=NC(=C(C(=N1)N)C#N)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N7/c1-23(2)18-21-16(20)15(12-19)17(22-18)25-10-8-24(9-11-25)13-14-6-4-3-5-7-14/h3-7H,8-11,13H2,1-2H3,(H2,20,21,22)